SCHEMBL13834206

SCHEMBL13834206

C=CC(=O)OCC(O)COc1ccc(C(CCC)CCCCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 2/20 0.46
▸ TSHR P16473 2/20 0.42
▸ THRB P10828 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13835948 0.81 THRB (0.62) PLA2G4BTHRBS1PR1LMNASMN1; SMN2
SCHEMBL21675973 0.81 THRB (0.62) PLA2G4BTHRBS1PR1LMNASMN1; SMN2
SCHEMBL11348102 0.80 POLB (0.46) PLA2G4BTSHRTHRBPOLBLMNA
SCHEMBL13205122 0.80 CYP1A2 (0.49) TSHRTHRBPOLBLMNAMAPT
SCHEMBL819519 0.79 CYP1A2 (0.48) PLA2G4BTSHRTHRBPOLBLMNA
SCHEMBL819190 0.79 CYP1A2 (0.48) PLA2G4BTSHRTHRBPOLBLMNA
SCHEMBL13806703 0.79 THRB (0.56) PLA2G4BTSHRTHRBHPGDS1PR1
SCHEMBL14565943 0.79 TSHR (0.51) PLA2G4BTSHRTHRBPOLBLMNA
SCHEMBL21914003 0.78 POLB (0.43) PLA2G4BTSHRTHRBPOLBLMNA
SCHEMBL13806706 0.78 PLA2G4B (0.57) PLA2G4BTSHRTHRBHPGDS1PR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2711381-B1 NOVEL COMPOUND, COMPOSITION CONTAINING SAID COMPOUND, AND CURED PRODUCT MITSUI CHEMICALS INC (JP) 2020-02-05 — — EP disclosed
EP-2710994-B1 DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL REPAIR MATERIAL, AND CURED PRODUCT MITSUI CHEMICALS INC (JP) 2018-08-01 — — EP disclosed
US-9511004-B2 Dental material, dental material composition, dental restorative material, and cured product MITSUI CHEMICALS, INC. (JP) 2016-12-06 — — US disclosed
US-9504632-B2 Compound, composition comprising the compound and cured product MITSUI CHEMICALS, INC. (JP) 2016-11-29 — — US disclosed
EP-2710994-A1 DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL REPAIR MATERIAL, AND CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2014-03-26 — — EP disclosed
EP-2711381-A1 NOVEL COMPOUND, COMPOSITION CONTAINING SAID COMPOUND, AND CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2014-03-26 — — EP disclosed
US-20120296061-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE COMPOUND AND CURED PRODUCT MITSUI CHEMICALS, INC. (JP) 2012-11-22 — — US disclosed
US-20120296003-A1 DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL RESTORATIVE MATERIAL, AND CURED PRODUCT MITSUI CHEMICALS, INC (JP) 2012-11-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120296061-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE COMPOUND AND CURED PRODUCT GGPS1, FDFT1, FDPS PLA2G4B 3193/4885TSHR 4869/4885THRB 4689/4885
US-20120296003-A1 DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL RESTORATIVE MATERIAL, AND CURED PRODUCT CAD, SEM1, REV1 PLA2G4B 3585/4885TSHR 4854/4885THRB 3734/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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